| SpectraBase Compound ID | 4cREC817xhh |
|---|---|
| InChI | InChI=1S/C13H18O2/c1-10(2)9-11(3)15-13(14)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3 |
| InChIKey | WMNCKJFVKMDUJQ-UHFFFAOYSA-N |
| Mol Weight | 206.28 g/mol |
| Molecular Formula | C13H18O2 |
| Exact Mass | 206.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Iyigff5pMZa |
|---|---|
| Name | Benzoic acid, 4-methylpent-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.130679818 u |
| Formula | C13H18O2 |
| InChI | InChI=1S/C13H18O2/c1-10(2)9-11(3)15-13(14)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3 |
| InChIKey | WMNCKJFVKMDUJQ-UHFFFAOYSA-N |
| Molecular Weight | 206.285 g/mol |
| SMILES | CC(C)CC(OC(C1=CC=CC=C1)=O)C |